2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride

C23H25Cl2N5O — CID 71460089

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
SMILESCl.Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C23H24ClN5O.ClH/c1-27-19-11-5-3-9-17(19)20-21(22(27)30)29(13-15-7-2-4-10-18(15)24)23(26-20)28-12-6-8-16(25)14-28;/h2-5,7,9-11,16H,6,8,12-14,25H2,1H3;1H/t16-;/m1./s1
InChIKeyYXDPCKUMSBMLNJ-PKLMIRHRSA-N
MW458.39 g/mol
LogP3.94
Rot. Bonds3

About 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride

2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride (PubChem CID 71460089) has the molecular formula C23H25Cl2N5O and a molecular weight of 458.39 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
PubChem CID71460089
Molecular FormulaC23H25Cl2N5O
Molecular Weight458.39 g/mol
Exact Mass457.14
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
SMILESCl.Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C23H24ClN5O.ClH/c1-27-19-11-5-3-9-17(19)20-21(22(27)30)29(13-15-7-2-4-10-18(15)24)23(26-20)28-12-6-8-16(25)14-28;/h2-5,7,9-11,16H,6,8,12-14,25H2,1H3;1H/t16-;/m1./s1
InChIKeyYXDPCKUMSBMLNJ-PKLMIRHRSA-N
XLogP3.94
TPSA69.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride (CID 71460089) is 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride is Cl.Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)c2ccccc21.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
The InChIKey is YXDPCKUMSBMLNJ-PKLMIRHRSA-N. The full InChI is InChI=1S/C23H24ClN5O.ClH/c1-27-19-11-5-3-9-17(19)20-21(22(27)30)29(13-15-7-2-4-10-18(15)24)23(26-20)28-12-6-8-16(25)14-28;/h2-5,7,9-11,16H,6,8,12-14,25H2,1H3;1H/t16-;/m1./s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride?
2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride has a molecular weight of 458.39 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 71460089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).